Taurodeoxycholic acid sodium salt hydrate

• CAT Number: M003422
• CAS Number: 207737-97-1
• Molecular Formula: C26H46NNaO7S
• Molecular Weight: 539.704
• Purity: ≥95%
• Synonyms: TAURODEOXYCHOLIC ACID SODIUM SIGMAULTRA;2-([3α,12α-dihydroxy-24-oxo-5β-cholan-24-yl]amino)ethanesulfonic acid;Taurodeoxycholic acid hydrate sodium salt, 2-([3α,12α-Dihydroxy-24-oxo-5β-cholan-24-yl]amino)ethanesulfonic acid;N-(Deoxycholyl)taurin
• Target: Metabolic Enzyme/Protease
• Storage: Store at -20°C
• IUPAC Name: sodium;2-[[(4R)-4-[(3R,5R,8R,9S,10S,12S,13R,14S,17R)-3,12-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]ethanesulfonate;hydrate
• InChI: InChI=1S/C26H45NO6S.Na.H2O/c1-16(4-9-24(30)27-12-13-34(31,32)33)20-7-8-21-19-6-5-17-14-18(28)10-11-25(17,2)22(19)15-23(29)26(20,21)3;;/h16-23,28-29H,4-15H2,1-3H3,(H,27,30)(H,31,32,33);;1H2/q;+1;/p-1/t16-,17-,18-,19+,20-,21+,22+,23+,25+,26-;;/m1../s1
• InChIKey: OLPIZAYYAVQETM-GGPRKOIFSA-M
• SMILES: CC(CCC(=O)NCCS(=O)(=O)[O-])C1CCC2C1(C(CC3C2CCC4C3(CCC(C4)O)C)O)C.O.[Na+]

Taurodeoxycholic acid sodium salt hydrate (CAS 207737-97-1) has been used in a study to assess the effect of submicellar concentrations of bile salts on the lipid bilayer membrane. It has also been used in a study to investigate polymorphic behavior in protein-surfactant mixtures. 

Reference

1.Orioni, Barbara, et al. "Polymorphic Behavior in Protein− Surfactant Mixtures: The Water− Bovine Serum Albumin− Sodium Taurodeoxycholate System." The Journal of Physical Chemistry B 110.24 (2006): 12129-12140.
2.Mohapatra, Monalisa, and Ashok K. Mishra. "Effect of submicellar concentrations of conjugated and unconjugated bile salts on the lipid bilayer membrane." Langmuir 27.22 (2011): 13461-13467.